1-[2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-2-one

C14H19NO2 — CID 82129052

IUPAC1-[2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-2-one
SMILESCOc1ccc(C)cc1CCN1CCCC1=O
InChIInChI=1S/C14H19NO2/c1-11-5-6-13(17-2)12(10-11)7-9-15-8-3-4-14(15)16/h5-6,10H,3-4,7-9H2,1-2H3
InChIKeyFMFNHMDSXAELOJ-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.17
Rot. Bonds4

About 1-[2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-2-one

1-[2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-2-one (PubChem CID 82129052) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-[2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-2-one
PubChem CID82129052
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name1-[2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-2-one
SMILESCOc1ccc(C)cc1CCN1CCCC1=O
InChIInChI=1S/C14H19NO2/c1-11-5-6-13(17-2)12(10-11)7-9-15-8-3-4-14(15)16/h5-6,10H,3-4,7-9H2,1-2H3
InChIKeyFMFNHMDSXAELOJ-UHFFFAOYSA-N
XLogP2.17
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-1-[2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-2-one
CID 82159582
1-[2-[4-(2-methoxy-5-methylphenyl)-1,3-thiazol-2-yl]ethyl]pyrrolidin-2-one
CID 51100877
4-[2-(5-fluoro-2-methoxyphenyl)ethyl]-1,4-diazepan-5-one
CID 82304427
1-[2-(2-methoxy-5-methylphenyl)ethyl]-2-methyl-3-[[4-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine
CID 111388288
1-[2-[2-bromo-4-methoxy-5-(trifluoromethyl)phenyl]ethyl]pyrrolidin-2-one
CID 157162623
1-[2-(2,5-dimethylphenoxy)ethyl]pyrrolidin-2-one
CID 82129078
1-[2-(2-methoxy-5-methylphenyl)ethyl]piperazine
CID 82083196
1-(2-methoxy-5-methylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea
CID 3249557
1-[[5-(hydroxymethyl)-2-methoxyphenyl]methyl]pyrrolidin-2-one
CID 62018410
1-[(5-acetyl-2-methoxyphenyl)methyl]pyrrolidin-2-one
CID 62019174
1-[2-[1-(2-methoxy-4-methylphenyl)ethylamino]propyl]pyrrolidin-2-one
CID 60930710
1-[3-[[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylamino]propyl]pyrrolidin-2-one
CID 17212137

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-2-one (CID 82129052) is 1-[2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-2-one is COc1ccc(C)cc1CCN1CCCC1=O.
What is the InChIKey of 1-[2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-2-one?
The InChIKey is FMFNHMDSXAELOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-11-5-6-13(17-2)12(10-11)7-9-15-8-3-4-14(15)16/h5-6,10H,3-4,7-9H2,1-2H3.
What are the key properties of 1-[2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-2-one?
1-[2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-2-one has a molecular weight of 233.31 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxy-5-methylphenyl)ethyl]pyrrolidin-2-one is sourced from PubChem (CID 82129052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).